(2S)-1-[(4R)-5-ethoxy-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-[(4R)-5-ethoxy-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(4R)-5-ethoxy-5-oxo-4-(pyridine-3-carbonylamino)pentanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(4R)-5-ethoxy-1,5-dioxo-4-[[oxo(3-pyridinyl)methyl]amino]pentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(4R)-5-ethoxy-5-oxo-4-(pyridine-3-carbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(4R)-5-ethoxy-5-keto-4-nicotinamido-pentanoyl]indoline-2-carboxylic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H](CCC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H23N3O6/c1-2-31-22(30)16(24-20(27)15-7-5-11-23-13-15)9-10-19(26)25-17-8-4-3-6-14(17)12-18(25)21(28)29/h3-8,11,13,16,18H,2,9-10,12H2,1H3,(H,24,27)(H,28,29)/t16-,18+/m1/s1